U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H40O9
Molecular Weight 496.5904
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NINANDROGRAPHOLIDE

SMILES

[H][C@]12CCC(=C)[C@@H](CCC3=CCOC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=MEEPUSVTMHGIPC-MVGASCEISA-N
InChI=1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NINANDROGRAPHOLIDE
Common Name English
(-)-NINANDROGRAPHOLIDE
Common Name English
ANDROPANOSIDE
Common Name English
2(5H)-FURANONE, 3-(2-(5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-, (1R-(1.ALPHA.,4A.BETA.,5.ALPHA.,6.ALPHA.,8A.ALPHA.))-
Systematic Name English
2(5H)-FURANONE, 3-(2-((1R,4AS,5R,6R,8AS)-5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
82209-72-1
Created by admin on Sat Dec 16 08:03:46 GMT 2023 , Edited by admin on Sat Dec 16 08:03:46 GMT 2023
PRIMARY
FDA UNII
Z87B39FVT4
Created by admin on Sat Dec 16 08:03:46 GMT 2023 , Edited by admin on Sat Dec 16 08:03:46 GMT 2023
PRIMARY
PUBCHEM
44575270
Created by admin on Sat Dec 16 08:03:46 GMT 2023 , Edited by admin on Sat Dec 16 08:03:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID701002559
Created by admin on Sat Dec 16 08:03:46 GMT 2023 , Edited by admin on Sat Dec 16 08:03:46 GMT 2023
PRIMARY